TL;DR: L-Glutamic acid, N-(2,6-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- (CAS 151648-47-4) is a chemical compound with molecular formula C20H20Cl2N8O5 and molecular weight 522.0934 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[2,6-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Also Known As: L-Glutamic acid, N-(2,6-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, (2S)-2-[[2,6-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid, (2S)-2-[[2,6-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid, L-Glutamic acid, N-[2,6-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, N-(2,6-Dichloro-4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid
| Molecular Formula | C20H20Cl2N8O5 |
| Molecular Weight | 522.0934 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 522.0934 Da |
| Heavy Atoms | 35 |
| Complexity | 770.0 |
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC(=C(C(=C3)Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cl |
| InChIKey | WTRBJWCGFNGLNY-LBPRGKRZSA-N |
The XLogP value of -0.1 indicates that L-Glutamic acid, N-(2,6-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 211.0 Ų indicates high polarity, suggesting L-Glutamic acid, N-(2,6-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Glutamic acid, N-(2,6-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of L-Glutamic acid, N-(2,6-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- is 151648-47-4.
The molecular formula of L-Glutamic acid, N-(2,6-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- is C20H20Cl2N8O5.
The molecular weight of L-Glutamic acid, N-(2,6-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- is 522.0934 g/mol.
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